| SpectraBase Compound ID | JWXr0CC1LM1 |
|---|---|
| InChI | InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1 |
| InChIKey | OWHASZQTEFAUJC-GJRPNUFSSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H72N10O13 |
| Exact Mass | 1044.528032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cmrw6ZfL0of |
|---|---|
| Name | MICROCYSTIN-YR |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H72N10O13 |
| InChI | InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1 |
| InChIKey | OWHASZQTEFAUJC-GJRPNUFSSA-N |
| Literature Reference Author | C.O.MILES,M.SANDVIK,H.E.NONGA,T.RUNDBERGET,A.L.WILKINS,F.RIS E,A.BALLOT |
| Literature Reference Citation | TOXICON,70,21(2013) |
| Literature Reference DOI | 10.1016/j.toxicon.2013.03.016 |
| Molecular Weight | 1045.203 g/mol |
| Source File Reference | UWIR6449 |